1-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-propan-2-yl-urea

Systemtic Name: 1-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3-propan-2-ylurea IUPAC Name: 1-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C)NC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C18H19N3O2S/c1-11(2)19-18(23)20-12-8-9-16-14(10-12)21(3)17(22)13-6-4-5-7-15(13)24-16/h4-11H,1-3H3,(H2,19,20,23)